HRID1217845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID58418055

未命名化合物

HCID59202026

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)NNC(=O)c2cc(C)nc(N(CC)CC)c2)cc(C)c1OCc1ccccc1

HCID68580309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14d6207fd83b49008b717d329d043f42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B-:25]([F:26])([F:27])([F:28])[F:29].[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([CH3:13])[n:12]1)[CH2:14][CH3:15].[CH2:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[O:54][c:55]1[c:56]([CH2:66][CH3:67])[cH:57][c:58]([C:59](=[O:60])[NH:61][NH2:62])[cH:63][c:64]1[CH3:65].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cl:68][CH2:69][Cl:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:62][NH:61][C:59]([c:58]2[cH:57][c:56]([CH2:66][CH3:67])[c:55]([O:54][CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:64]([CH3:65])[cH:63]2)=[O:60])[cH:10][c:11]([CH3:13])[n:12]1)[CH2:14][CH3:15]